5-butyl-3-(4-methylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 5-butyl-3-(4-methylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 5-butyl-2-[2-(1-naphthylamino)-2-oxo-ethyl]sulfanyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 5-butyl-3-(4-methylphenyl)-2-[[2-(1-naphthalenylamino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 5-butyl-3-(4-methylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 5-butyl-6-keto-2-[[2-keto-2-(1-naphthylamino)ethyl]thio]-3-(p-tolyl)pyrimidin-4-olate Formula: C27H26N3O3S- MolecularWeight: 472.57864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C27H27N3O3S/c1-3-4-10-22-25(32)29-27(30(26(22)33)20-15-13-18(2)14-16-20)34-17-24(31)28-23-12-7-9-19-8-5-6-11-21(19)23/h5-9,11-16,33H,3-4,10,17H2,1-2H3,(H,28,31)/p-1